2.0 2012-05-31 14:25:41 -0600 2015-06-03 17:19:14 -0600 ECMDB20066 M2MDB000915 3-Cyano-L-alanine 3-cyano-L-alanine is a member of the chemical class known as Alpha Amino Acids and Derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon) 3-Cyano-L-alanine 3-Cyanoalanine b-cyano-L-Alanine Beta-Cyano-L-alanine C9650_SIGMA L-3-Cyanoalanine L-b-Cyanoalanine L-beta-Cyanoalanine L-β-Cyanoalanine β-cyano-L-Alanine C4H6N2O2 114.1026 114.042927446 (2S)-2-amino-3-cyanopropanoic acid 3-cyanoalanine 6232-19-5 [H][C@](N)(CC#N)C(O)=O InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 BXRLWGXPSRYJDZ-VKHMYHEASA-N Cytoplasm Periplasm logp -2.38 ALOGPS logs -0.56 ALOGPS solubility 3.13e+01 g/l ALOGPS logp -3.4 ChemAxon pka_strongest_acidic 0.23 ChemAxon pka_strongest_basic 7.23 ChemAxon iupac (2S)-2-amino-3-cyanopropanoic acid ChemAxon average_mass 114.1026 ChemAxon mono_mass 114.042927446 ChemAxon smiles [H][C@](N)(CC#N)C(O)=O ChemAxon formula C4H6N2O2 ChemAxon inchi InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 ChemAxon inchikey BXRLWGXPSRYJDZ-VKHMYHEASA-N ChemAxon polar_surface_area 87.11 ChemAxon refractivity 25.51 ChemAxon polarizability 10.27 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Cyanoamino acid metabolism ec00460 L-glutamate metabolism II PW001886 Metabolic Specdb::CMs 1076 Specdb::CMs 30024 Specdb::CMs 30721 Specdb::CMs 35530 Specdb::CMs 48109 Specdb::CMs 132114 Specdb::CMs 139848 Specdb::NmrOneD 56502 Specdb::NmrOneD 56503 Specdb::NmrOneD 56504 Specdb::NmrOneD 56505 Specdb::NmrOneD 56506 Specdb::NmrOneD 56507 Specdb::NmrOneD 56508 Specdb::NmrOneD 56509 Specdb::NmrOneD 56510 Specdb::NmrOneD 56511 Specdb::NmrOneD 56512 Specdb::NmrOneD 56513 Specdb::NmrOneD 56514 Specdb::NmrOneD 56515 Specdb::NmrOneD 56516 Specdb::NmrOneD 56517 Specdb::NmrOneD 56518 Specdb::NmrOneD 56519 Specdb::NmrOneD 56520 Specdb::NmrOneD 56521 Specdb::MsMs 28862 Specdb::MsMs 28863 Specdb::MsMs 28864 Specdb::MsMs 35420 Specdb::MsMs 35421 Specdb::MsMs 35422 Specdb::MsMs 1471163 Specdb::MsMs 1471185 Specdb::MsMs 1471321 Specdb::MsMs 1471322 Specdb::MsMs 1471902 Specdb::MsMs 1471903 Specdb::MsMs 1471904 Specdb::MsMs 1471905 Specdb::MsMs 1471906 Specdb::MsMs 1471907 Specdb::MsMs 1471908 Specdb::MsMs 1471909 Specdb::MsMs 1471910 Specdb::MsMs 1471911 Specdb::MsMs 1471912 Specdb::MsMs 1471913 Specdb::MsMs 1471914 Specdb::MsMs 1471915 Specdb::MsMs 1471916 439742 388802 C02512 16934 CPD0-1336 Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590. 21097882 Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. 22080510 Gamma-glutamyltranspeptidase P18956 GGT_ECOLI ggt http://ecmdb.ca/proteins/P18956.xml 3-Cyano-L-alanine + L-Glutamate <> gamma-Glutamyl-beta-cyanoalanine + Water R03970 L-Glutamate + 3-Cyano-L-alanine > Water + gamma-Glutamyl-beta-cyanoalanine PW_R005915